2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

C6H3Cl2N3 — CID 14116871

IUPAC2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2cc[nH]c2n1
InChIInChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)
InChIKeyGHXBPCSSQOKKGB-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.26
Rot. Bonds

About 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 14116871) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID14116871
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2cc[nH]c2n1
InChIInChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)
InChIKeyGHXBPCSSQOKKGB-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine (CID 14116871) is 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine is Clc1nc(Cl)c2cc[nH]c2n1.
What is the InChIKey of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GHXBPCSSQOKKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11).
What are the key properties of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 188.02 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 14116871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).